ChemSpider 2D Image | 4,4'-Dihydroxy-10,10'-dioxo-5,5'-bis[(1,2,4,5-tetrahydroxy-3-oxohexyl)oxy]-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid | C42H38O20

4,4'-Dihydroxy-10,10'-dioxo-5,5'-bis[(1,2,4,5-tetrahydroxy-3-oxohexyl)oxy]-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid

  • Molecular FormulaC42H38O20
  • Average mass862.739 Da
  • Monoisotopic mass862.195618 Da
  • ChemSpider ID143997

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4,4'-Dihydroxy-10,10'-dioxo-5,5'-bis[(1,2,4,5-tetrahydroxy-3-oxohexyl)oxy]-9,9',10,10'-tetrahydro-9,9'-bianthracen-2,2'-dicarbonsäure [German] [ACD/IUPAC Name]
4,4'-Dihydroxy-10,10'-dioxo-5,5'-bis[(1,2,4,5-tetrahydroxy-3-oxohexyl)oxy]-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid [ACD/IUPAC Name]
Acide 4,4'-dihydroxy-10,10'-dioxo-5,5'-bis[(1,2,4,5-tétrahydroxy-3-oxohexyl)oxy]-9,9',10,10'-tétrahydro-9,9'-bianthracène-2,2'-dicarboxylique [French] [ACD/IUPAC Name]
125930-50-9 [RN]
4,4'-dihydroxy-10,10'-dioxo-5,5'-bis[(1,2,4,5-tetrahydroxy-3-oxohexyl)oxy]-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid(non-preferred name)
Alosenn

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 1239.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 193.4±3.0 kJ/mol
Flash Point: 375.3±27.8 °C
Index of Refraction: 1.732
Molar Refractivity: 204.4±0.3 cm3
#H bond acceptors: 20
#H bond donors: 12
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 4
ACD/LogP: 6.38
ACD/LogD (pH 5.5): -0.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 364 Å2
Polarizability: 81.0±0.5 10-24cm3
Surface Tension: 102.2±3.0 dyne/cm
Molar Volume: 511.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement